⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL7755686 | 0.75 | CYP3A4 (0.31) | — | |
| Methyl Alcohol SCHEMBL7839953 | 0.75 | CYP3A4 (0.31) | — | |
| Methyl Alcohol SCHEMBL7756473 | 0.75 | CYP3A4 (0.31) | — | |
| SCHEMBL6908903 | 0.72 | — | — | |
| SCHEMBL8750623 | 0.70 | — | — | |
| SCHEMBL2130847 | 0.69 | FFAR3 (0.34) | — | |
| SCHEMBL10008531 | 0.69 | FFAR3 (0.34) | — | |
| SCHEMBL2130858 | 0.69 | FFAR3 (0.34) | — | |
| SCHEMBL13935223 | 0.65 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL7837237 | 0.65 | ALDH1A1 (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090041945-A1 | ACTIVE RAY CURABLE COMPOSITION, POLYMERIZATION METHOD, ACTIVE RAY CURABLE INK, IMAGE FORMING METHOD, AND INK-JET RECORDING APPARATUS | KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) | 2009-02-12 | — | — | US | disclosed |
| US-20090041945-A1 | ACTIVE RAY CURABLE COMPOSITION, POLYMERIZATION METHOD, ACTIVE RAY CURABLE INK, IMAGE FORMING METHOD, AND INK-JET RECORDING APPARATUS | KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) | 2009-02-12 | — | — | US | disclosed |